B3NLH8 -OEChem-04022109382D 43 43 0 1 0 0 0 0 0999 V2000 8.1521 5.0371 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 3.6711 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1521 3.3050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 7.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4761 8.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9761 8.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3842 4.1711 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5181 5.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9761 7.2440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 7.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 7.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9761 7.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4761 8.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6521 4.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5181 4.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 6.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 8.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 8.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 6.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 7.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7861 8.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 18 2 0 0 0 0 8 27 1 0 0 0 0 9 27 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 33 1 0 0 0 0 12 25 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 2 8 -1 12 1 M END $$$$